2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid

C10H19NO5 — CID 138478604

IUPAC2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid
SMILESCC(COCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-7(8(12)13)5-15-6-11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyXJMIEWJODFTVNR-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.21
Rot. Bonds5

About 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid

2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid (PubChem CID 138478604) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid
PubChem CID138478604
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid
SMILESCC(COCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-7(8(12)13)5-15-6-11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyXJMIEWJODFTVNR-UHFFFAOYSA-N
XLogP1.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid?
The IUPAC name of 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid (CID 138478604) is 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid?
The canonical SMILES for 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid is CC(COCNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid?
The InChIKey is XJMIEWJODFTVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(8(12)13)5-15-6-11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid?
2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid has a molecular weight of 233.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methoxy]propanoic acid is sourced from PubChem (CID 138478604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).